5-(4-methyl-2-methylsulfanyl-pyrimidin-5-yl)penta-2,4-diynyl benzenesulfonate

Systemtic Name: 5-(4-methyl-2-methylsulfanyl-pyrimidin-5-yl)penta-2,4-diynyl benzenesulfonate Openeye Name: 5-(4-methyl-2-methylsulfanyl-pyrimidin-5-yl)penta-2,4-diynyl benzenesulfonate CAS Name: benzenesulfonic acid 5-[4-methyl-2-(methylthio)-5-pyrimidinyl]penta-2,4-diynyl ester IUPAC Name: 5-(4-methyl-2-methylsulfanylpyrimidin-5-yl)penta-2,4-diynyl benzenesulfonate Traditional Name: benzenesulfonic acid 5-[4-methyl-2-(methylthio)pyrimidin-5-yl]penta-2,4-diynyl ester Formula: C17H14N2O3S2 MolecularWeight: 358.43466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C#CC#CCOS(=O)(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CC1=NC(=NC=C1C#CC#CCOS(=O)(=O)C2=CC=CC=C2)SC

InChI

InChI=1S/C17H14N2O3S2/c1-14-15(13-18-17(19-14)23-2)9-5-4-8-12-22-24(20,21)16-10-6-3-7-11-16/h3,6-7,10-11,13H,12H2,1-2H3